1-methyl-3-(1H-pyrazol-4-yl)urea

C5H8N4O — CID 20784637

IUPAC1-methyl-3-(1H-pyrazol-4-yl)urea
SMILESCNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C5H8N4O/c1-6-5(10)9-4-2-7-8-3-4/h2-3H,1H3,(H,7,8)(H2,6,9,10)
InChIKeyALQWAVKDDYZWIA-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.16
Rot. Bonds1

About 1-methyl-3-(1H-pyrazol-4-yl)urea

1-methyl-3-(1H-pyrazol-4-yl)urea (PubChem CID 20784637) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-methyl-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(1H-pyrazol-4-yl)urea
PubChem CID20784637
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name1-methyl-3-(1H-pyrazol-4-yl)urea
SMILESCNC(=O)Nc1cn[nH]c1
InChIInChI=1S/C5H8N4O/c1-6-5(10)9-4-2-7-8-3-4/h2-3H,1H3,(H,7,8)(H2,6,9,10)
InChIKeyALQWAVKDDYZWIA-UHFFFAOYSA-N
XLogP0.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-Methyl-1H-pyrazol-4-amine
CID 206693
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
N-(4-pyrazolyl)urea
CID 43540216
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 56788684
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 71893203
1-butyl-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045102
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 72046986
1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(1H-pyrazol-4-yl)urea
CID 60482235

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-methyl-3-(1H-pyrazol-4-yl)urea (CID 20784637) is 1-methyl-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-methyl-3-(1H-pyrazol-4-yl)urea is CNC(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-methyl-3-(1H-pyrazol-4-yl)urea?
The InChIKey is ALQWAVKDDYZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-6-5(10)9-4-2-7-8-3-4/h2-3H,1H3,(H,7,8)(H2,6,9,10).
What are the key properties of 1-methyl-3-(1H-pyrazol-4-yl)urea?
1-methyl-3-(1H-pyrazol-4-yl)urea has a molecular weight of 140.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 20784637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).